2-(1-adamantyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[3-[4-(m-tolyl)piperazin-1-yl]propyl]acetamide CAS Name: 2-(1-adamantyl)-N-[3-[4-(3-methylphenyl)-1-piperazinyl]propyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[3-[4-(m-tolyl)piperazino]propyl]acetamide Formula: C26H39N3O MolecularWeight: 409.60736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCNC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCNC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H39N3O/c1-20-4-2-5-24(12-20)29-10-8-28(9-11-29)7-3-6-27-25(30)19-26-16-21-13-22(17-26)15-23(14-21)18-26/h2,4-5,12,21-23H,3,6-11,13-19H2,1H3,(H,27,30)